2-amino-9-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one

C22H20N4O2 — CID 46861768

IUPAC2-amino-9-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1c(CN3CCOCC3)cccc1C2=O
InChIInChI=1S/C22H20N4O2/c23-22-24-19(14-5-2-1-3-6-14)18-20(25-22)17-15(7-4-8-16(17)21(18)27)13-26-9-11-28-12-10-26/h1-8H,9-13H2,(H2,23,24,25)
InChIKeyDBNLJUHBHNYWKM-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.77
Rot. Bonds3

About 2-amino-9-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one

2-amino-9-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one (PubChem CID 46861768) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-amino-9-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-9-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one
PubChem CID46861768
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-amino-9-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1c(CN3CCOCC3)cccc1C2=O
InChIInChI=1S/C22H20N4O2/c23-22-24-19(14-5-2-1-3-6-14)18-20(25-22)17-15(7-4-8-16(17)21(18)27)13-26-9-11-28-12-10-26/h1-8H,9-13H2,(H2,23,24,25)
InChIKeyDBNLJUHBHNYWKM-UHFFFAOYSA-N
XLogP2.77
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-9-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one (CID 46861768) is 2-amino-9-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-9-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-9-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccccc2)c2c(n1)-c1c(CN3CCOCC3)cccc1C2=O.
What is the InChIKey of 2-amino-9-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is DBNLJUHBHNYWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c23-22-24-19(14-5-2-1-3-6-14)18-20(25-22)17-15(7-4-8-16(17)21(18)27)13-26-9-11-28-12-10-26/h1-8H,9-13H2,(H2,23,24,25).
What are the key properties of 2-amino-9-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one?
2-amino-9-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 372.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46861768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).